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Environmental fate & pathways

Henry's Law constant

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Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Scientifically accepted method, but EPI Suite not validated for organic salts
Principles of method if other than guideline:
HENRY (v.3.10): Bond estimation method
GLP compliance:
no
H:
0 Pa m³/mol
Temp.:
25 °C

Henry's Law Constant (HLC) at 25 °C calculated

from vapor pressure (VP) and water solubility (Sol) using EPI values:

HLC = 0.444E-3 Pa*m³/mol

VP = 3.41 Pa

Sol = 1.0E+06 mg/L

Calcium formate is a solid compound with negligible  vapor pressure. However, in solution it is in equilibrium with formic  acid and volatilization from water is therefore pH dependent.

Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable publication
Reason / purpose for cross-reference:
read-across source
Qualifier:
no guideline followed
Principles of method if other than guideline:
Henry´s Law Constant was determined by measuring equilibrium partial pressures (dynamic method according to Scarano et al., 1971) for a series of known aqueous molalities.
H:
0.019 Pa m³/mol
Temp.:
25 °C
Conclusions:
The Henry's Law constant of formic acid was determined to be 0.019 Pa m³/mol at 25 °C.
Executive summary:

The Henry´s Law constant of formic acid was determined by measuring equilibrium partial pressures (dynamic method according to Scarano et al., 1971) for a series of known aqueous molalities, resulting in a value 0.019 Pa m³/mol at 25°C (Khan & Brimblecomb, 1992).

Endpoint:
Henry's law constant
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable publication
Justification for type of information:
It is considered appropriate to address the Henry’s Law constant data requirement for calcium formate by read-across to an available study on formic acid.

Calcium formate is the calcium salt of formic acid, and will dissociate immediately in aqueous and biological surroundings to the formate ion. It is therefore expected that the environmental profile of formic acid and calcium formate will be similar.
Reason / purpose for cross-reference:
read-across source
Qualifier:
no guideline followed
Principles of method if other than guideline:
Henry´s Law Constant was determined by measuring equilibrium partial pressures (dynamic method according to Scarano et al., 1971) for a series of known aqueous molalities.
Specific details on test material used for the study:
Formic acid is being used as a read-across for calcium formate.
H:
0.019 Pa m³/mol
Temp.:
25 °C
Conclusions:
The Henry's Law constant of formic acid was determined to be 0.019 Pa m³/mol at 25°C, and is considered suitable for read-across to calcium formate.
Executive summary:

It is considered appropriate to address the Henry's Law constant data requirement for calcium formate by read-across to an available study on formic acid. Calcium formate is the calcium salt of formic acid, and will dissociate immediately in aqueous and biological surroundings to the formate ion. It is therefore expected that the environmental profile of formic acid and calcium formate will be similar.

 

The Henry´s Law constant of formic acid was determined by measuring equilibrium partial pressures (dynamic method according to Scarano et al., 1971) for a series of known aqueous molalities, resulting in a value 0.019 Pa m³/mol at 25°C (Khan & Brimblecomb, 1992). This value is therefore also considered for calcium formate.

Description of key information

The Henry’s Law Constant (HLC) value for calcium formate has been addressed via read-across from an available study on formic acid, given that calcium formate is the calcium salt of formic acid, and will dissociate immediately in aqueous and biological surroundings to the formate ion. It is therefore expected that the environmental profile of formic acid and calcium formate will be similar.

The Henry´s Law constant of formic acid was determined by measuring equilibrium partial pressures (dynamic method according to Scarano et al., 1971) for a series of known aqueous molalities, resulting in a value 0.019 Pa m³/mol at 25°C (Khan & Brimblecomb, 1992). This value is therefore also considered for calcium formate.

From the water surface, the substance will not evaporate into the atmosphere.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0.019
at the temperature of:
25 °C

Additional information

A read across was performed to formic acid in order to have a reliable value for the calculation of PNECsed and PNEC soil via the equilibrium partitioning method. The Henry's Law Constant (HLC) of formic acid was determined to be 0.019 Pa m³/mol at 25 °C (Khan & Brimblecomb, 1992).